HMDB0040610 RDKit 3D Epitheaflavic acid 3'-gallate 62 66 0 0 0 0 0 0 0 0999 V2000 -4.3153 1.7569 0.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0527 0.8098 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4086 1.0148 0.5833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 -0.4432 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -1.4642 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9513 -2.7155 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9966 -3.6118 -0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7123 -3.1175 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6669 -4.2770 -1.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 -2.4380 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 -3.1187 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 -4.3051 -2.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2769 -2.5867 -1.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -3.2313 -2.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -1.3767 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.6879 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 0.5608 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 1.6375 -0.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 2.9123 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 3.9282 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 5.1875 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 6.2275 -0.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 5.4831 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 4.4753 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 4.7537 2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 3.1773 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8784 2.1266 1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 1.0445 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 0.1388 0.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 0.2389 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 1.0961 -1.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 -0.6263 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3258 -0.5146 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3823 -1.3409 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 -1.2618 -0.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -2.2721 0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2183 -3.1520 1.2669 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0067 -2.3919 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 -3.3488 2.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -1.5658 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 -1.2635 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 -0.4802 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0408 0.8201 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3273 -1.1986 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9252 -3.4264 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -4.8321 -2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 -4.0922 -3.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 -0.9946 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 0.4772 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 3.6696 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 6.7906 -0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 6.4974 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 4.0736 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4691 1.5854 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 2.4599 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 1.6317 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 0.2133 -1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8128 -0.6103 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1227 -3.1118 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -3.4297 3.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0223 -1.6764 1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.1752 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 34 36 2 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 2 0 16 41 2 0 41 42 1 0 42 4 2 0 41 10 1 0 28 17 1 0 40 32 1 0 26 19 1 0 3 43 1 0 5 44 1 0 7 45 1 0 12 46 1 0 14 47 1 0 15 48 1 0 17 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 25 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 33 57 1 0 35 58 1 0 37 59 1 0 39 60 1 0 40 61 1 0 42 62 1 0 M END